Geometry & MOs

Info

ID:	203852
PubChem CID:	79882961
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	264.085855
ΔH_f, kcal/mol:	42.77
Dipole, Da:	1.84
IP(EA), eV:	-8.27(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(6-nitro-1,3-benzoxazol-2-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NCC3=CC=CC=C3C4CC4

DOS

IR

Vibrations